Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Thromboxane A2 receptor' and Ligand = 'BDBM50075096'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Thromboxane A2 receptor (RAT)	BDBM50075096 (CHEMBL336352 | Sodium; 2-[2-(4-chloro-benzenesulfo...) Show SMILES [O-]C(=O)c1ccc2CC(CCNS(=O)(=O)c3ccc(Cl)cc3)Cc2c1 Show InChI InChI=1S/C18H18ClNO4S/c19-16-3-5-17(6-4-16)25(23,24)20-8-7-12-9-13-1-2-14(18(21)22)11-15(13)10-12/h1-6,11-12,20H,7-10H2,(H,21,22)/p-1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Zeria Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro thromboxane A2 antagonistic activity of the compound on U-46619 (0.1 uM) induced contraction of rat aorta				Bioorg Med Chem Lett 9: 401-6 (1999) BindingDB Entry DOI: 10.7270/Q2GB2363
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50075096 (CHEMBL336352 | Sodium; 2-[2-(4-chloro-benzenesulfo...) Show SMILES [O-]C(=O)c1ccc2CC(CCNS(=O)(=O)c3ccc(Cl)cc3)Cc2c1 Show InChI InChI=1S/C18H18ClNO4S/c19-16-3-5-17(6-4-16)25(23,24)20-8-7-12-9-13-1-2-14(18(21)22)11-15(13)10-12/h1-6,11-12,20H,7-10H2,(H,21,22)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
Zeria Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro thromboxane A2 antagonistic activity on aggregation of rabbit platelets induced by U-46,619 (4 uM)				Bioorg Med Chem Lett 9: 401-6 (1999) BindingDB Entry DOI: 10.7270/Q2GB2363
					More data for this Ligand-Target Pair